Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "72b197d4e755d8d5ee0987a8d94140f8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 93.51,
"b": 61.75,
"c": 119.62,
"alpha": 90.00,
"beta": 101.93,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.830,3.000],
"number_observations": 40597,
"number_observations_unique": 13393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [3.180,3.000],
"number_observations": 6889,
"number_observations_unique": 2158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "R(meas)",
"value": 0.292
},
{
"type": "R(pim)",
"value": 0.161
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
{
"resolution_limits": [45.830,9.000],
"number_observations": 1546,
"number_observations_unique": 533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 25.600
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}